(1s 2 2s 2 4s 1 ) 2 S S 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 4s- electron | |
| 1 | 1s | 11.938788 | .15005419 |
| 2 | 2s | 3.553860 | -1.82924611 |
| 3 | 3s | 3.343670 | 4.52532549 |
| 4 | 4s | 3.144400 | -3.51021876 |
| 5 | 5s | 5.867858 | .11832787 |
| 6 | 4s | 11.324182 | -.02799891 |
| 7 | 5s | 34.718077 | .00061497 |
| 8 | 4s | 49.724450 | .00006654 |
| ORB.ENERGY,a.u. | -4.916100 | ||
| NORM | 1.000001 | < R > | 1.839970 | < R2 > | 3.803439 | < 1/R > | .792973 | < 1/R**2 > | 5.003461 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.359890 | .40551130 |
| 2 | 2s | 6.580673 | -.81321877 |
| 3 | 3s | 8.512642 | -.29024372 |
| 4 | 5s | 15.517868 | -.01279748 |
| 5 | 4s | 30.059320 | .00335458 |
| 6 | 5s | 42.206336 | -.00061087 |
| 7 | 5s | 6.195190 | .00142886 |
| 8 | 4s | 2.637744 | .00030433 |
| ORB.ENERGY,a.u. | -23.248000 | ||
| NORM | 1.000000 | < R > | .415412 | < R2 > | .201546 | < 1/R > | 3.541177 | < 1/R**2 > | 50.511637 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.141231 | .93500976 |
| 2 | 1s | 23.981291 | .06394633 |
| 3 | 2s | 16.441215 | .01968030 |
| 4 | 3s | 18.414835 | -.01675768 |
| 5 | 5s | 37.398881 | .00094850 |
| 6 | 4s | 86.787795 | -.00004189 |
| 7 | 5s | 18.774095 | -.00081482 |
| ORB.ENERGY,a.u. | -111.780000 |
| NORM | 1.000000 | < R > | .096150 | < R2 > | .012370 | < 1/R > | 15.669713 | < 1/R**2 > | 493.847654 |
Total Energy= -300.58392482 a.u.
Kinetic Energy= 300.58390377 a.u.
Potential Energy= -601.16782859 a.u.
Virial Ratio = -2.00000007